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- PDB-7a0r: 50S Deinococcus radiodurans ribosome bounded with mycinamicin I -

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基本情報

登録情報
データベース: PDB / ID: 7a0r
タイトル50S Deinococcus radiodurans ribosome bounded with mycinamicin I
要素
  • (50S ribosomal protein ...) x 26
  • RNA (120-MER)
  • RNA (2730-MER)
キーワードANTIBIOTIC / Complex / NPET / Macrolide / A2058
機能・相同性
機能・相同性情報


large ribosomal subunit / transferase activity / 5S rRNA binding / ribosomal large subunit assembly / large ribosomal subunit rRNA binding / cytosolic large ribosomal subunit / cytoplasmic translation / tRNA binding / negative regulation of translation / rRNA binding ...large ribosomal subunit / transferase activity / 5S rRNA binding / ribosomal large subunit assembly / large ribosomal subunit rRNA binding / cytosolic large ribosomal subunit / cytoplasmic translation / tRNA binding / negative regulation of translation / rRNA binding / ribosome / structural constituent of ribosome / translation / ribonucleoprotein complex / mRNA binding / RNA binding / zinc ion binding / cytoplasm
類似検索 - 分子機能
Ribosomal protein L6 / Outer Surface Protein A; domain 3 / Ribosomal protein L25, long-form / Ribosomal protein L25, beta domain / Ribosomal protein L25, C-terminal / Ribosomal protein TL5, C-terminal domain / : / : / Ribosomal protein L16 signature 1. / Ribosomal protein L16 signature 2. ...Ribosomal protein L6 / Outer Surface Protein A; domain 3 / Ribosomal protein L25, long-form / Ribosomal protein L25, beta domain / Ribosomal protein L25, C-terminal / Ribosomal protein TL5, C-terminal domain / : / : / Ribosomal protein L16 signature 1. / Ribosomal protein L16 signature 2. / Ribosomal protein L16, conserved site / : / Ribosomal protein L17 signature. / Ribosomal L25p family / Ribosomal protein L25 / Ribosomal protein L32p, bacterial type / Ribosomal protein L28/L24 superfamily / Ribosomal protein L25/Gln-tRNA synthetase, N-terminal / Ribosomal protein L25/Gln-tRNA synthetase, anti-codon-binding domain superfamily / Ribosomal protein L33, conserved site / Ribosomal protein L33 signature. / Ribosomal protein L35, conserved site / Ribosomal protein L35 signature. / Ribosomal protein L28 / Ribosomal protein L35, non-mitochondrial / : / Ribosomal protein L5, bacterial-type / Ribosomal protein L18, bacterial-type / : / Ribosomal protein L6, bacterial-type / Ribosomal protein L19, conserved site / Ribosomal protein L19 signature. / Ribosomal protein L27, conserved site / Ribosomal protein L27 signature. / Ribosomal protein L20 signature. / Ribosomal protein L22, bacterial/chloroplast-type / Ribosomal protein L14P, bacterial-type / Ribosomal protein L34, conserved site / Ribosomal protein L34 signature. / Ribosomal protein L2, bacterial/organellar-type / Ribosomal protein L35 / Ribosomal protein L35 superfamily / Ribosomal protein L35 / Ribosomal protein L33 / Ribosomal protein L33 / Ribosomal L28 family / Ribosomal protein L33 superfamily / Ribosomal protein L16 / Ribosomal protein L28/L24 / Ribosomal protein L18 / Ribosomal L18 of archaea, bacteria, mitoch. and chloroplast / Ribosomal protein L30, bacterial-type / : / L28p-like / Ribosomal protein L27 / Ribosomal L27 protein / Ribosomal protein L20 / Ribosomal L32p protein family / Ribosomal protein L19 / Ribosomal protein L19 / Ribosomal protein L20 / Ribosomal protein L20, C-terminal / Ribosomal protein L19 superfamily / Ribosomal protein L21 / Ribosomal protein L32p / Ribosomal protein L17 / Ribosomal protein L17 superfamily / Ribosomal protein L17 / Ribosomal proteins 50S L24/mitochondrial 39S L24 / Ribosomal protein L21-like / L21-like superfamily / Ribosomal prokaryotic L21 protein / Ribosomal protein L34 / Ribosomal protein L34 / Ribosomal protein L24 / Ribosomal protein L13, bacterial-type / Ribosomal protein L3, bacterial/organelle-type / Ribosomal protein L15, bacterial-type / 50S ribosomal protein uL4 / Ribosomal protein L23/L25, conserved site / Ribosomal protein L23 signature. / Ribosomal protein L2 signature. / Ribosomal protein L29, conserved site / Ribosomal protein L29 signature. / Ribosomal protein L2, conserved site / : / Ribosomal protein L5, N-terminal / Ribosomal protein L5 / Ribosomal protein L15, conserved site / Ribosomal protein L15 signature. / Ribosomal protein L5, C-terminal / ribosomal L5P family C-terminus / Ribosomal protein L5 / Ribosomal protein L10e/L16 / Ribosomal protein L10e/L16 superfamily / Ribosomal protein L16p/L10e / Ribosomal protein L5 domain superfamily / Ribosomal protein L6, alpha-beta domain / Ribosomal protein L6 / Ribosomal protein L6
類似検索 - ドメイン・相同性
mycinamicin II / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Large ribosomal subunit protein bL32 / Large ribosomal subunit protein bL28 / Large ribosomal subunit protein bL34 ...mycinamicin II / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Large ribosomal subunit protein bL32 / Large ribosomal subunit protein bL28 / Large ribosomal subunit protein bL34 / Large ribosomal subunit protein bL17 / Large ribosomal subunit protein uL15 / Large ribosomal subunit protein uL30 / Large ribosomal subunit protein uL18 / Large ribosomal subunit protein uL6 / Large ribosomal subunit protein bL33 / Large ribosomal subunit protein bL35 / Large ribosomal subunit protein bL20 / Large ribosomal subunit protein bL19 / Large ribosomal subunit protein bL25 / Large ribosomal subunit protein uL5 / Large ribosomal subunit protein uL24 / Large ribosomal subunit protein uL14 / Large ribosomal subunit protein uL29 / Large ribosomal subunit protein uL16 / Large ribosomal subunit protein uL22 / Large ribosomal subunit protein uL2 / Large ribosomal subunit protein uL23 / Large ribosomal subunit protein uL4 / Large ribosomal subunit protein uL3 / Large ribosomal subunit protein uL13 / Large ribosomal subunit protein bL21 / Large ribosomal subunit protein bL27
類似検索 - 構成要素
生物種Deinococcus radiodurans R1 (放射線耐性)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 3.3 Å
データ登録者Breiner, E. / Eyal, Z. / Matzov, D. / Halfon, Y. / Cimicata, G. / Rozenberg, H. / Zimmerman, E. / Bashan, A. / Yonath, A.
資金援助 米国, 2件
組織認可番号国
European Research Council (ERC)322581
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM118101 米国
引用ジャーナル: Nucleic Acids Res. / 年: 2021
タイトル: Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
著者: Breiner-Goldstein, E. / Eyal, Z. / Matzov, D. / Halfon, Y. / Cimicata, G. / Baum, M. / Rokney, A. / Ezernitchi, A.V. / Lowell, A.N. / Schmidt, J.J. / Rozenberg, H. / Zimmerman, E. / Bashan, A. ...著者: Breiner-Goldstein, E. / Eyal, Z. / Matzov, D. / Halfon, Y. / Cimicata, G. / Baum, M. / Rokney, A. / Ezernitchi, A.V. / Lowell, A.N. / Schmidt, J.J. / Rozenberg, H. / Zimmerman, E. / Bashan, A. / Valinsky, L. / Anzai, Y. / Sherman, D.H. / Yonath, A.
履歴
登録2020年8月10日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02021年8月18日Provider: repository / タイプ: Initial release
改定 1.12022年4月27日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
改定 1.22024年1月31日Group: Data collection / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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構造の表示

構造ビューア分子:
MolmilJmol/JSmol

ダウンロードとリンク

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集合体

登録構造単位
X: RNA (2730-MER)
Y: RNA (120-MER)
A: 50S ribosomal protein L2
B: 50S ribosomal protein L3
C: 50S ribosomal protein L4
D: 50S ribosomal protein L5
E: 50S ribosomal protein L6
G: 50S ribosomal protein L13
H: 50S ribosomal protein L14
I: 50S ribosomal protein L15
J: 50S ribosomal protein L16
K: 50S ribosomal protein L17
L: 50S ribosomal protein L18
M: 50S ribosomal protein L19
N: 50S ribosomal protein L20
O: 50S ribosomal protein L21
P: 50S ribosomal protein L22
Q: 50S ribosomal protein L23
R: 50S ribosomal protein L24
S: 50S ribosomal protein L25
T: 50S ribosomal protein L27
U: 50S ribosomal protein L28
V: 50S ribosomal protein L29
W: 50S ribosomal protein L30
Z: 50S ribosomal protein L32
1: 50S ribosomal protein L33
2: 50S ribosomal protein L34
3: 50S ribosomal protein L35
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)1,323,960374
ポリマ－1,314,84728
非ポリマー9,113346
水00
1


  • 登録構造と同一
  • 登録者が定義した集合体
  • 根拠: mass spectrometry
タイプ名称対称操作数
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)170.484, 408.933, 697.322
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number23
Space group name H-MI222

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要素

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RNA鎖 , 2種, 2分子 XY

#1: RNA鎖 RNA (2730-MER)


分子量: 932488.500 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: GenBank: 1026245073
#2: RNA鎖 RNA (120-MER)


分子量: 38665.148 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: GenBank: 11612676

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50S ribosomal protein ... , 26種, 26分子 ABCDEGHIJKLMNOPQRSTUVWZ123

#3: タンパク質 50S ribosomal protein L2


分子量: 29533.010 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RXJ9
#4: タンパク質 50S ribosomal protein L3


分子量: 22033.609 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RXK2
#5: タンパク質 50S ribosomal protein L4


分子量: 21405.232 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RXK1
#6: タンパク質 50S ribosomal protein L5


分子量: 19992.455 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RXJ0
#7: タンパク質 50S ribosomal protein L6


分子量: 18266.004 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RSL3
#8: タンパク質 50S ribosomal protein L13


分子量: 15966.381 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RXY1
#9: タンパク質 50S ribosomal protein L14


分子量: 14256.539 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RXJ2
#10: タンパク質 50S ribosomal protein L15


分子量: 14798.907 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RSK9
#11: タンパク質 50S ribosomal protein L16


分子量: 15543.239 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RXJ5
#12: タンパク質 50S ribosomal protein L17


分子量: 12926.067 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RSJ5
#13: タンパク質 50S ribosomal protein L18


分子量: 11098.696 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RSL2
#14: タンパク質 50S ribosomal protein L19


分子量: 12948.889 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RWB4
#15: タンパク質 50S ribosomal protein L20


分子量: 13860.079 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RSW7
#16: タンパク質 50S ribosomal protein L21


分子量: 10980.562 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RY64
#17: タンパク質 50S ribosomal protein L22


分子量: 14475.030 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RXJ7
#18: タンパク質 50S ribosomal protein L23


分子量: 10336.936 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RXK0
#19: タンパク質 50S ribosomal protein L24


分子量: 11770.651 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RXJ1
#20: タンパク質 50S ribosomal protein L25 / General stress protein CTC


分子量: 19184.021 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RX88
#21: タンパク質 50S ribosomal protein L27


分子量: 7907.146 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RY65
#22: タンパク質 50S ribosomal protein L28


分子量: 8148.552 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RRG8
#23: タンパク質 50S ribosomal protein L29


分子量: 7073.173 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RXJ4
#24: タンパク質 50S ribosomal protein L30


分子量: 6079.235 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RSL0
#25: タンパク質 50S ribosomal protein L32


分子量: 6579.690 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: P49228
#26: タンパク質・ペプチド 50S ribosomal protein L33


分子量: 5771.778 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RSS4
#27: タンパク質・ペプチド 50S ribosomal protein L34


分子量: 5626.587 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RSH2
#28: タンパク質 50S ribosomal protein L35


分子量: 7130.701 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Deinococcus radiodurans R1 (放射線耐性)
参照: UniProt: Q9RSW6

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非ポリマー , 2種, 346分子

#29: 化合物 ChemComp-QTZ / mycinamicin II / (1~{S},2~{S},3~{R},6~{E},8~{S},9~{S},10~{S},12~{R},14~{E},16~{R})-2-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-8,10,12-trimethyl-2-oxidanyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione


分子量: 727.879 Da / 分子数: 1 / 由来タイプ: 合成 / 式: C37H61NO13 / タイプ: SUBJECT OF INVESTIGATION
#30: 化合物...
ChemComp-MG / MAGNESIUM ION / マグネシウムジカチオン


分子量: 24.305 Da / 分子数: 345 / 由来タイプ: 合成 / 式: Mg

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詳細

研究の焦点であるリガンドがあるかY

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 4.81 Å3/Da / 溶媒含有率: 74.41 %
結晶化温度: 293.15 K / 手法: 蒸気拡散法, ハンギングドロップ法
詳細: Ribosome solution containing 0.0065 mM (180 A/ml) of D50S in 10 mM Hepes pH=7.8, 15 mM MgCl2 and 75 mM NH4Cl crystallization buffer was mixed with 10 mM spermidine, 1 % ethanol and 0.5 % 2- ...詳細: Ribosome solution containing 0.0065 mM (180 A/ml) of D50S in 10 mM Hepes pH=7.8, 15 mM MgCl2 and 75 mM NH4Cl crystallization buffer was mixed with 10 mM spermidine, 1 % ethanol and 0.5 % 2-ethyl-1,3-hexanediol precipitants. A 0.005 ml crystallization drop was hanged over 10 % ethanol and 5% 2-ethyl-1,3-hexanediol in ddw reservoir.
PH範囲: 7.8

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データ収集

回折平均測定温度: 80 K / Serial crystal experiment: N
放射光源由来: シンクロトロン / サイト: ESRF / ビームライン: ID23-2 / 波長: 0.873 Å
検出器タイプ: DECTRIS PILATUS3 2M / 検出器: PIXEL / 日付: 2016年2月2日
放射プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 0.873 Å / 相対比: 1
反射解像度: 3.3→50 Å / Num. obs: 359719 / % possible obs: 98.4 % / 冗長度: 3.4 % / Biso Wilson estimate: 98.15 Å2 / Rmerge(I) obs: 0.182 / Rpim(I) all: 0.113 / Rrim(I) all: 0.215 / Χ2: 1.012 / Net I/σ(I): 5.5 / Num. measured all: 1224927
反射 シェル

Diffraction-ID: 1

解像度 (Å)冗長度 (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
3.3-3.363.31.145179790.550.7111.3550.98599
3.36-3.423.31.028179790.5960.6391.2181.01799.2
3.42-3.483.30.888179500.6450.5511.0511.02799.1
3.48-3.553.30.783179610.6780.4870.9281.0298.9
3.55-3.633.30.697178820.7190.4350.8261.00698.5
3.63-3.723.20.598179000.7560.3830.7151.02398.6
3.72-3.813.30.523180000.8070.3280.6211.02999
3.81-3.913.40.452180160.8710.2780.5331.02399.2
3.91-4.033.30.39180640.8930.2440.4631.01599.2
4.03-4.163.30.344180050.9060.2170.4091.01599
4.16-4.313.60.285181030.9360.1710.3341.01199.1
4.31-4.483.60.251180170.9470.1510.2941.0199
4.48-4.683.60.218179840.9520.1320.2561.00898.7
4.68-4.933.50.195179280.9550.1190.2290.99897.9
4.93-5.243.40.173178300.9610.1080.2051.01797.7
5.24-5.643.30.157178890.9630.0990.1871.00897.8
5.64-6.213.40.144180000.9630.0890.170.99797.9
6.21-7.13.60.13180280.970.0780.1531.01197.8
7.1-8.943.60.12180140.9720.0720.141.0497.2
8.94-503.40.119181900.960.0760.1420.97695.8

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解析

ソフトウェア
名称バージョン分類
HKL-2000データスケーリング
PHENIX1.12_2829精密化
PDB_EXTRACT3.25データ抽出
HKL-2000データ削減
PHENIX1.12_2829位相決定
精密化構造決定の手法: 分子置換
開始モデル: 3PIO

3pio


解像度: 3.3→49.545 Å / SU ML: 0.43 / 交差検証法: THROUGHOUT / σ(F): 1.33 / 位相誤差: 27.88 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.2492 17953 5.04 %
Rwork0.2151 338576 -
obs0.2168 356529 98.33 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータBiso max: 335.24 Å2 / Biso mean: 125.9572 Å2 / Biso min: 21.22 Å2
精密化ステップサイクル: final / 解像度: 3.3→49.545 Å
タンパク質核酸リガンド溶媒全体
原子数23424 61153 393 0 84970
Biso mean--74.51 --
残基数----5957
拘束条件
Refine-IDタイプDev ideal数
X-RAY DIFFRACTIONf_bond_d0.00892297
X-RAY DIFFRACTIONf_angle_d1.378138892
X-RAY DIFFRACTIONf_chiral_restr0.06117889
X-RAY DIFFRACTIONf_plane_restr0.0087030
X-RAY DIFFRACTIONf_dihedral_angle_d19.60548788
LS精密化 シェル

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.3-3.33750.37545770.34781131899
3.3375-3.37670.38066050.33911119299
3.3767-3.41790.37175850.33341137399
3.4179-3.46120.34526190.32151125199
3.4612-3.50670.34646310.31461121399
3.5067-3.55470.33245650.30511135599
3.5547-3.60550.31925800.29381119099
3.6055-3.65930.31165850.2811122798
3.6593-3.71650.32875830.27371128198
3.7165-3.77740.30785880.25831127199
3.7774-3.84250.27076410.23861126899
3.8425-3.91230.26285810.23241132999
3.9123-3.98750.26496070.22561135699
3.9875-4.06890.25386120.22131129599
4.0689-4.15730.28645930.22321137699
4.1573-4.2540.25236030.20611131299
4.254-4.36030.25585890.20241133799
4.3603-4.47810.24275810.19851134699
4.4781-4.60980.24775730.20441133699
4.6098-4.75850.23846080.19411120298
4.7585-4.92840.23536350.18681118098
4.9284-5.12550.21226180.17841117098
5.1255-5.35860.22965970.17261120297
5.3586-5.64070.20645940.16261126898
5.6407-5.99350.20646070.16641128798
5.9935-6.45540.21486010.17561130998
6.4554-7.10330.20925850.17681132698
7.1033-8.12730.21525810.17971132197
8.1273-10.22480.20956040.19561126296
10.2248-49.540.23366250.22231142395
精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.3867-0.0320.00820.2763-0.00440.5403-0.06910.38520.2571-0.28120.10160.3127-0.3115-0.3171-0.03891.0553-0.0581-0.27091.52610.40651.07347.2344151.097597.5586
20.56880.0136-0.11970.45030.10690.9985-0.08040.35590.0293-0.22570.13080.001-0.01910.2919-0.05310.578-0.1567-0.09731.25420.15890.671842.9554122.1072113.2813
31.3123-0.9862-0.06690.66020.11891.6139-0.0161-0.55440.40740.3750.04080.0068-0.5498-0.257-0.01331.1312-0.09490.00341.0484-0.07981.126230.2622171.3133167.1051
40.461-0.09810.09520.5138-0.1570.7859-0.04380.17820.3471-0.1457-0.0911-0.1886-0.410.53710.170.8167-0.3538-0.05951.29890.2110.902865.9217147.3107135.009
50.5425-0.26440.05320.4466-0.04880.7242-0.03980.3330.5004-0.3015-0.0157-0.0587-0.57380.1581-0.0261.2054-0.3989-0.13541.38950.41271.102849.0916159.2678107.0375
60.4377-0.05460.13050.2816-0.06950.8762-0.03350.34570.0089-0.21370.01180.02360.09790.3152-0.01320.5989-0.1342-0.01711.39030.08550.608559.7202107.563114.1945
72.14390.8721-0.92242.3861-0.86241.1370.3174-0.0136-0.7404-0.48070.5514-0.37010.1689-0.3093-0.78812.041-0.207-0.03373.6091-0.07841.062285.4975111.687514.2575
80.57510.53810.34571.3153-0.07070.39890.0955-0.12510.17180.18140.00030.07870.53340.64040.01071.9236-0.06060.07163.6969-0.30420.941487.2197107.811234.4303
90.5292-0.37810.29720.46430.11240.70270.0709-0.14020.3398-0.66240.1594-0.510.25891.1848-0.26621.9754-0.21280.4393.98070.24191.176102.3444125.866117.9035
100.1653-0.022-0.44210.8713-0.19951.21490.17140.92810.243-0.0718-0.7869-0.51940.4080.1670.42851.699-0.31490.27824.28030.3861.358103.4669130.883922.2681
110.67780.4717-0.79090.4319-0.55330.8906-0.05050.2961-0.055-0.5982-0.18070.07160.5730.50290.21341.80420.0092-0.00213.4698-0.05730.963486.44197.314441.0484
121.85650.275-1.18671.4913-1.04781.9467-0.33-0.1524-0.62660.5365-0.2119-0.6881-0.38920.00010.54521.2814-0.1702-0.2362.52290.0110.925359.898191.226674.4943
130.57880.0627-1.00410.4379-0.25091.66910.1890.63120.0785-0.52140.2360.01470.55980.4006-0.35931.5864-0.10860.05343.06540.02290.953677.371498.532340.8992
140.9388-0.02690.03760.6825-0.33371.3681-0.2262-0.20770.30450.0185-0.34-0.205-0.21750.24180.5561.1004-0.5403-0.01321.9615-0.04231.174971.7078164.8368152.7439
151.0687-0.0180.57830.315-0.00681.0044-0.83310.56810.9506-0.20240.05910.5922-0.55070.15920.67731.8057-0.5522-0.23631.11750.08311.416452.3575177.8733141.4958
160.2553-0.1444-0.09650.1524-0.07930.3178-0.02060.41550.24060.4055-0.0948-0.2308-0.90340.52020.09921.9423-0.4527-0.15531.158-0.05491.53854.7509191.5476144.6396
170.17510.4214-0.16491.41680.0380.59650.3667-0.09760.51630.08350.27270.006-0.25080.2702-0.54191.9416-0.6444-0.27640.9036-0.07141.716159.0027192.8682147.9987
181.9190.10820.76361.01550.69490.724-0.06030.53521.59480.1115-0.1769-0.1644-1.64630.94860.13761.5348-0.6796-0.00511.06470.17641.601567.4307198.2791132.9216
190.7861-0.5671-0.25530.4850.52751.61920.0534-0.3380.0523-0.26370.4065-0.5083-0.14910.1913-0.43881.0547-0.665-0.15591.53590.32111.215562.8984167.4419139.5889
200.2085-0.30880.10240.5053-0.17320.07470.31080.0404-0.0456-0.2378-0.3443-0.34390.6089-0.13030.04571.4347-0.46660.04471.81610.11660.929162.0161154.2746119.3605
210.47560.553-0.16372.56990.36830.27160.1066-0.09320.5658-0.49260.29340.286-0.19770.0553-0.35331.3112-0.42930.1941.48270.61291.375166.6289179.0145115.5589
224.42592.31713.4392.68831.57622.75990.1157-0.2358-0.9858-0.38940.3418-0.98190.14990.5701-0.35930.4995-0.01390.08581.11890.02560.700653.589976.0851162.485
231.32940.20450.15951.7929-0.84161.3174-0.1473-0.3321-0.7622-0.18580.23260.62450.3735-0.5285-0.12830.8724-0.04570.07590.54540.06560.912138.649266.5614155.3485
243.9990.31280.06493.89490.18983.6749-0.5389-0.6072-0.91821.2390.37770.12260.75080.57420.18071.1940.02380.07711.12720.09970.964149.051563.8128155.2865
25-0.0073-0.0477-0.06221.1059-0.34891.80030.09690.1141-0.2645-0.00230.06060.24870.00670.3221-0.0970.5523-0.0429-0.04451.36860.09880.803351.156791.7924144.1307
260.62231.10960.71352.8405-0.13643.10870.2350.3269-0.27630.15810.3298-1.06940.4189-0.0087-0.55410.59410.0808-0.16651.11840.15651.11452.46675.3339153.1702
270.3571-0.2960.31770.2862-0.40990.56780.05340.6432-0.001-0.21780.04530.0638-0.1782-0.0415-0.08531.3157-0.0953-0.33921.99250.37951.09164.6224138.403785.1577
280.90570.0291-0.38990.27990.19490.3977-0.11570.76040.5094-0.32330.11190.58660.1144-0.1479-0.00371.4208-0.2385-0.40682.09790.42491.0847-19.8654140.507165.2294
290.8038-0.60510.27730.6648-0.09020.4946-0.246-0.4207-0.64960.10880.67070.12330.0345-0.2959-0.35530.9691-0.3291-0.58992.30940.50091.8345-30.0424140.164675.4594
302.3817-1.34380.70342.35041.44892.69460.40120.6090.345-0.9143-0.40180.4488-0.5228-0.14270.09341.2416-0.158-0.37592.84230.79211.3492-17.9135142.066967.6961
311.1938-0.57540.22080.698-0.65010.7287-0.0160.94020.48770.1433-0.6496-0.63420.41470.87160.59581.49-0.4634-0.04783.38790.53441.1461116.6755135.393138.4993
320.61010.23610.0440.10820.01370.00350.2281-0.2679-0.11560.3905-0.13840.1646-0.30150.326-0.07212.4278-0.3120.96143.11170.67951.906118.2687123.610140.7138
331.5626-0.4522-0.17070.8142-0.71811.48150.68461.24761.28090.99660.0674-0.0493-1.3659-0.6855-0.73042.1019-0.10590.56483.23360.51371.9585123.9485133.957740.3252
341.42120.19740.37812.3291-0.60471.7228-0.0170.6157-0.80240.0530.04330.40321.8075-0.2453-0.00012.21280.28480.00642.6471-0.89031.69371.850438.1716106.4225
351.7822-0.4123-0.5520.27680.61541.58-0.0120.487-0.6381-1.0647-0.08690.17581.1220.8742-0.00392.00080.3943-0.18481.409-0.2931.098985.601951.3974119.5072
360.1840.00570.71722.833-0.73072.9350.05840.1608-0.7042-0.15120.02351.10031.0866-0.9895-0.08190.865-0.2814-0.03831.2409-0.12990.688630.640663.7227103.7082
371.49060.48370.85451.60.27520.4906-0.10390.02150.1153-0.02020.1317-0.3347-0.79520.0947-0.27461.7342-0.21910.3741.3319-0.76251.37356.741464.4393107.0231
381.7817-0.2390.26760.8014-0.26311.49270.2414-0.77080.23240.4469-0.165-0.08290.3750.0505-0.08070.9335-0.16020.01331.0472-0.1180.616541.569168.6176114.4833
390.1464-0.07720.11790.0424-0.07730.20310.14950.1506-0.0438-0.21950.1931-0.5569-0.14610.2185-0.28952.0451-0.43430.25241.8441-0.95351.558738.866455.877994.5862
402.5890.6579-0.04652.445-0.19892.7937-0.42560.02160.36650.33610.34860.5883-0.3217-0.3259-0.01440.5798-0.0706-0.06031.35190.21920.78682.1389107.7763155.2791
410.52960.38960.1850.908-0.02461.03060.11090.22990.1062-0.03230.0114-0.39250.1810.2909-0.14270.69920.21480.00931.61840.21180.964485.7985101.8562152.2425
420.8240.50460.56081.031-0.39561.17150.0221-0.6513-0.60750.2791-0.0145-0.124-0.1085-0.01020.00260.49750.2363-0.04261.51950.31150.764282.073299.629161.695
433.05870.3474-0.30922.01060.16043.26610.0508-0.9361-0.1030.0962-0.2314-0.12370.67480.45720.16440.5462-0.06070.0221.24550.22040.932586.025894.3598165.8962
442.3212-0.1476-0.86072.10841.58961.93080.2698-0.4554-0.1331-0.33140.2187-0.21490.10170.4024-0.46670.9545-0.1918-0.24491.41320.46460.738.864124.499978.2758
451.1393-0.0037-0.73190.0510.02250.48340.6250.48650.1024-0.1217-0.2405-0.59460.34060.305-0.33481.1385-0.2661-0.2562.0970.45011.035636.0235135.120282.6511
461.3271-1.19041.02382.6601-1.0871.3937-0.1709-0.59550.7028-0.2132-0.318-0.0661-0.8676-0.43630.45881.8585-0.5333-0.39871.78580.0751.02143.8304153.295363.6204
471.28780.40530.5611.301-0.04561.76790.4647-0.11720.3589-0.8407-0.70120.15820.406-0.30140.21841.71190.1499-0.46652.12820.57821.319516.7267159.031140.4007
481.1939-0.49140.3940.3565-0.19410.1384-0.18090.7052-0.31980.4193-0.5246-0.2985-0.180.23540.71981.5297-0.09150.19852.83890.0330.871882.7569106.961276.2088
490.59370.44520.23251.0476-0.00610.1376-0.36240.3714-0.0229-0.2263-0.1315-0.1284-0.3164-0.10430.39122.12850.05160.1763.0524-0.04630.776892.84687.616672.4812
500.84410.25550.26191.1014-0.20960.1831-0.30810.08750.0723-0.3540.2521-0.38850.34950.4930.06131.28540.13260.10673.00990.06620.897889.210497.648783.8748
511.55770.33210.74851.3347-0.5060.71010.6208-0.73290.130.1853-0.14660.0614-0.08620.1316-0.41571.51410.29350.37872.38090.05351.341786.255385.996881.0837
520.0292-0.09350.02780.6324-0.01680.04750.0772-0.32550.3925-0.1996-0.0316-0.0897-0.01750.2024-0.0622.19630.28830.15352.5927-0.58611.241691.851984.329163.9924
531.7459-0.1125-0.99440.67950.2981.84010.3574-0.3271-0.4694-0.30190.15-0.58-0.0897-0.3027-0.47970.6893-0.14570.07181.10240.07320.923335.2481104.4341159.7284
543.4431.6453-0.31742.80830.87321.54190.3015-0.051-0.37250.51630.65760.2073-0.1653-0.2707-0.87960.67590.1428-0.03881.25170.28080.612625.1095112.4686172.0123
552.27670.26891.21671.5212-0.28051.9288-0.3009-0.47610.07840.29780.40170.2238-0.2149-0.6266-0.11810.5523-0.09630.04291.01040.09660.621924.5106107.3711180.3194
560.6584-0.00780.43250.6685-0.23441.70080.1403-0.08440.0492-0.16650.28610.1582-0.0296-0.7099-0.41330.5789-0.06450.01321.01750.30530.706815.9431102.4576166.4286
570.2538-0.196-0.13631.0801-0.03440.0975-0.29790.6211-0.1277-0.41280.20790.00440.30341.1942-0.00452.3773-0.31150.06213.3450.20440.869180.3674126.59221.1776
580.4571-0.2284-0.21340.11420.10620.1001-0.0563-0.1164-0.13780.095-0.13340.0322-0.07260.00750.15883.1201-0.3298-0.05832.90740.33291.075292.3349134.12874.0595
590.8868-0.6026-0.09321.0497-0.31760.52260.47240.0420.1864-0.9879-0.0176-0.0784-0.25140.0322-0.44282.3598-0.78250.11073.31270.41151.011480.947133.14427.6007
600.4420.0787-0.15120.8173-0.36732.22730.15050.09640.08410.26560.08450.0636-0.0950.2193-0.14852.2786-0.05420.23133.27470.31560.811279.892133.844920.7412
610.58930.23-0.1030.8013-0.58211.26430.06080.11780.15680.0549-0.1209-0.1146-0.11310.10550.04512.6802-0.7542-0.24942.36650.9251.464781.4663138.814413.3963
621.53291.5841-0.20592.53670.35791.59780.0163-0.3793-0.50690.17550.0398-0.48830.25240.1918-0.02480.68310.04570.03141.38340.1390.851765.034492.2721177.5036
630.2244-0.2379-0.02250.29120.09552.1050.09780.04240.33710.04810.2303-0.0207-0.061-0.0072-0.27931.34660.45470.24491.67060.80951.906971.6494112.4691176.737
640.34620.22640.16531.31720.15530.6225-0.23550.08770.22370.15120.55610.10.002-0.4092-0.25930.9272-0.1381-0.29121.9122-0.0760.761810.5766110.1658102.2418
650.6126-0.01780.15020.85220.22690.39580.01630.7415-0.0179-0.1930.2061-0.14640.24940.2109-0.17181.1875-0.3161-0.13961.5874-0.0170.731823.603486.070992.3406
661.7883-0.39530.05562.77291.50060.8503-0.09620.7682-0.2785-1.06830.14510.043-0.22130.0463-0.07741.273-0.4751-0.12721.6373-0.61291.060128.015964.691977.4653
671.5136-0.1385-0.13511.49090.00151.12660.2906-0.7939-0.146-0.1433-0.14990.04950.66890.1571-0.18491.5978-0.1899-0.57671.5664-0.37921.197722.857960.364182.6265
681.0339-0.5447-0.57090.32250.36020.4120.04710.0098-0.5657-0.23480.1181-0.0088-0.14870.2264-0.1591.3068-0.7647-0.37942.0193-0.24551.566812.27972.589478.1902
691.68450.3874-0.10540.18990.33921.3254-0.32110.3868-0.2403-0.506-0.21920.5979-0.4095-0.42560.55781.4304-0.5197-0.1932.3698-0.31941.66921.59176.031475.3968
701.5242-0.68650.53140.3911-0.34580.3241-0.0456-0.0376-0.1393-0.1920.101-0.0911-0.1131-0.1840.00361.6083-0.4729-0.72351.9808-0.48691.53649.416567.730572.2176
710.24190.1993-0.03710.2703-0.13340.2347-0.0592-0.0151-0.3567-0.36770.1748-0.23280.04910.0883-0.09732.4113-0.2679-0.30251.9314-0.63362.323712.656158.888573.4166
720.6879-0.1940.20321.1252-0.2320.08830.5738-0.142-0.2974-0.3273-0.67640.3370.0152-0.58520.21861.0884-0.3434-0.30242.1304-0.20960.99329.854190.433382.2343
731.0287-0.21160.16210.47870.1261.30470.2889-0.03570.02050.17810.1352-0.17660.2740.0759-0.3321.6343-0.18950.16281.8139-0.23421.3024-24.1836102.5523110.4499
740.868-0.21180.75081.4810.70731.19470.01090.7581-0.1831-0.15830.26030.81470.232-0.7137-0.28650.5477-0.2234-0.15011.31450.18440.9208-4.4189103.5689135.4722
754.07270.7999-0.45241.61030.36542.25380.22390.56010.1783-0.1391-0.2992-0.1306-0.56790.73310.04170.6567-0.1831-0.15330.83170.18250.56369.9815115.6268131.8163
760.92780.2423-0.02350.3049-0.46771.6831-0.11920.6110.6373-0.175-0.07440.4292-0.6156-0.40410.17891.61080.5363-0.06731.77360.22041.3656-10.6039168.3478148.3997
770.065-0.0951-0.090.90710.67650.51160.0461-0.2783-0.47060.57340.01880.30850.1046-0.2273-0.04991.23580.14940.20681.28980.33981.5988-6.8039155.5332163.2993
781.8577-0.59711.33380.77090.03411.3315-0.2511-0.49630.18790.32210.32060.3789-0.1766-0.3983-0.06651.00250.6579-0.25611.48110.17281.6677-5.9787162.5497157.2041
790.9361-0.65510.73121.4423-0.15630.6954-0.36170.03970.434-0.1843-0.45691.2532-1.3955-0.18320.75111.47580.2062-0.2760.88110.13731.6076-3.822171.2601155.0238
802.5110.047-0.10142.01511.21434.0577-0.18020.302-0.2687-0.12780.21830.71380.3339-0.8949-0.00550.95370.02410.00441.47530.13241.69610.9355146.2353137.8932
815.14221.37640.82372.1476-1.56831.9949-0.93610.35190.124-0.3558-0.5759-0.5024-0.06160.3461.30440.7769-0.2260.13871.13930.00221.720.3167152.0436139.0164
821.0895-0.09340.75280.6182-0.46850.85370.1036-0.0467-0.21370.0843-0.2137-0.3677-0.2599-0.18650.09281.16420.39420.10241.25560.34261.5462-1.4742164.7966158.0289
830.10840.12410.06520.27690.16310.09950.1067-0.0845-0.0360.10410.43910.54920.2496-0.4509-0.45171.68590.52380.04862.78770.72771.7684-13.358165.7959164.5838
843.4426-1.03221.2092.4324-0.57772.50780.36850.25530.3002-0.15480.59490.5218-0.19150.1428-0.8461.29010.03130.01451.67190.20841.0183-21.1072144.349110.6571
850.50910.07740.06610.3370.45520.9084-0.0376-0.4493-0.5651-0.0802-0.29270.6603-0.2577-0.55560.28510.75710.3576-0.17242.24520.4811.4367-37.4644137.2819116.2054
861.3405-1.64731.22943.0368-2.98873.2937-0.1713-0.16080.67730.5649-0.6609-0.9933-0.1073-0.64240.69231.5162-0.1125-0.59741.60940.01451.1563-30.2145134.9464122.4861
870.08870.02240.04550.50440.01110.60140.39920.1185-0.21740.13180.12590.14680.0407-0.0115-0.4181.6699-0.2561-0.30152.33420.48682.3665-24.0932128.5822143.2236
880.1673-0.24610.16810.9479-0.13390.9856-0.48270.3630.50170.2062-0.3790.7034-0.21570.18650.73741.0189-0.0341-0.37651.96690.08281.9147-31.2316131.0034126.4127
890.7531-0.14090.78160.87450.06620.86480.0846-0.1158-0.0157-0.1280.14660.6161-0.0849-0.307-0.1391.8750.6737-0.35241.95110.75971.7109-41.976137.8814109.8087
901.75640.8918-0.11460.6231-0.58542.15090.27420.08780.4830.20230.12280.22090.0053-0.1017-0.38321.23440.1225-0.51012.37110.80762.2658-43.5777148.0329104.9795
910.24290.07710.06380.11850.01120.11930.00570.0267-0.0471-0.1001-0.01310.02570.0118-0.05450.01573.67380.36440.43833.7196-0.66683.8386-46.7436160.7078112.4189
921.06991.79920.21883.22871.06192.41650.0693-0.40610.20950.3374-0.02180.3879-0.4965-0.1187-0.04931.71391.0670.24722.20020.34982.0896-44.3597152.853109.0545
933.11680.24683.12481.0084-1.01586.1229-0.05470.07320.14670.09530.19020.1976-0.2861-0.2858-0.11761.31390.3188-0.61391.88810.11871.9748-48.3277146.0024105.6288
941.2597-0.17470.15261.56370.2221.171-0.1297-0.5729-0.3544-0.199-0.20440.75640.49770.19050.34652.3069-0.07950.32982.6226-0.24551.770880.886873.208253.7688
952.1962-0.1506-0.26141.12930.34331.43650.06250.8969-0.9035-1.0299-0.078-0.51490.43891.51720.05191.76970.10420.17542.7467-0.19451.2175103.706283.811759.7571
960.4359-0.51830.04930.95550.03950.03320.32650.1869-0.0447-0.0118-0.0692-0.0199-0.1375-0.1215-0.23631.5303-0.2604-0.06152.4530.22190.852662.8297124.789248.9698
970.1308-0.2521-0.02030.50960.22412.0722-0.0420.06670.0378-0.0532-0.0970.0088-0.00380.18480.12122.173-0.4319-0.16722.4743-0.11250.69764.4709114.349340.0916
982.0243-1.2006-0.33913.3105-0.36410.18040.15230.4808-0.1622-0.7703-0.05150.444-0.0405-0.6945-0.01331.8799-0.20390.1922.7732-0.29090.791264.3624117.883138.728
991.20270.10560.17162.01280.19931.95650.5022-0.04290.10540.2864-0.08550.4525-0.26950.2016-0.38012.1654-0.3472-0.43591.39230.20021.61132.5963185.9846100.9261
1001.24540.01640.87651.0657-0.22890.7025-0.05380.78110.49990.1657-0.25460.1363-0.50870.78440.24921.655-0.4954-0.25981.68980.70971.331848.2081171.65787.2002
1013.4162-2.1585-1.19542.67490.84271.58360.0335-0.12220.5641-0.3362-0.70370.09490.43470.70130.59872.12790.15960.0091.43750.4731.501732.3413200.5079108.8123
1020.2201-0.1689-0.18151.4133-0.56290.7284-0.1258-0.12690.45490.1210.36260.51-0.8227-0.2244-0.23262.06520.21480.13041.51170.7051.88833.2327199.8386100.6617
1030.09160.03040.06160.09970.00810.0431-0.0448-0.0332-0.06840.0822-0.0351-0.0805-0.1411-0.07190.06342.30111.2665-0.40452.66340.61292.9426-29.4423181.568135.1717
1042.7671.1181-0.12991.0815-0.67734.07170.6215-0.44560.3061-0.15620.53490.7068-0.0876-0.1932-1.11281.19880.1576-0.19811.9825-0.17311.5737-19.8555169.641145.7142
1051.13120.178-0.08870.7731-0.12361.16420.0737-0.25380.5107-0.3724-0.2393-0.0834-0.0564-0.42620.15461.19770.653-0.0682.45340.19292.1567-21.6982171.232134.5605
1060.4576-0.1615-0.46141.059-0.07530.52850.6220.6399-0.4752-0.54360.00120.32490.82180.5499-0.60871.4424-0.2285-0.24772.7683-0.14570.861339.595292.092259.7412
1073.59130.0813-0.55120.9494-1.24091.7607-0.2590.062-0.8576-0.61360.375-0.00390.33990.1023-0.06761.6443-0.1483-0.11391.6679-0.02981.172642.961184.85560.4455
1083.891-0.55580.06712.38090.17364.22090.79370.80680.46970.0054-0.765-0.4728-0.4674-0.85830.01780.70610.0459-0.14051.02320.19040.902227.1971107.1301122.7881
1091.7804-0.14560.22483.3625-1.28793.06080.33840.2228-0.42250.2480.62630.13290.46680.2256-0.86060.9261-0.2406-0.25920.85480.09221.097915.454696.6952138.5902
1100.7447-0.37730.41840.54490.19950.7520.2444-0.04510.3930.607-0.47730.23150.1902-0.1950.19941.2144-0.4395-0.03391.7808-0.09661.8696-0.11592.0387158.5263
1110.2314-0.3547-0.40341.1453-0.20531.83160.0185-0.0525-0.37390.00210.14550.06120.0327-0.4591-0.13670.874-0.3894-0.11490.88150.41721.01647.776195.1957158.3183
1121.42220.8706-1.32632.8656-2.443.7392-0.21610.2639-0.032-0.00210.06760.40020.2291-0.26830.11270.7224-0.34520.0321.49410.56961.32470.953898.5699163.224
1132.34280.68220.13780.3973-0.51521.68170.446-0.0099-0.2259-0.45940.0783-0.4661-0.3428-0.1352-0.47841.1288-0.20840.09630.6652-0.30421.25624.365698.7945167.9481
1141.453-0.43890.50981.108-0.36080.22270.1531-0.28750.09040.27480.09240.0765-0.0853-0.1031-0.20092.18320.01520.09152.36360.26881.332277.5011155.973865.7411
1150.0847-0.16740.2050.3515-0.43430.56070.2039-0.00010.1831-0.0981-0.0537-0.00490.01250.11-0.12692.07770.2985-0.16141.9076-0.2551.407569.8464161.39253.7498
1162.4522-0.2473-1.11540.06770.19611.66070.04090.0337-0.016-0.08970.00240.0496-0.02750.135-0.0382.5074-0.3124-0.60932.13540.48431.040564.8044167.04944.7661
1170.64250.64940.23780.67850.12531.6868-0.1187-0.07310.4142-0.0463-0.01190.31730.24440.20490.11881.7306-0.8233-0.16893.06790.47011.520465.8847158.379450.9026
1180.5662-0.06160.1230.1511-0.09240.4923-0.02790.07890.07640.1251-0.0847-0.1223-0.00230.14040.07692.3053-0.331-0.3482.26480.72111.041879.5447155.071557.7819
1190.3042-0.38030.35870.7102-0.58520.50250.0909-0.01210.07750.02480.03630.07350.03130.0068-0.08682.8654-0.8520.46582.89540.42561.243582.7432159.830853.6093
1200.8032-0.5751-0.18671.1409-0.38971.12730.1973-0.0635-0.0633-0.0885-0.05440.065-0.00430.1257-0.05091.34320.05780.04412.47231.29741.897174.1097159.639745.7432
1210.3364-0.28440.03770.4616-0.07770.01680.00720.08550.01960.06580.07960.1257-0.0449-0.1746-0.08231.7388-0.51760.08662.71130.74511.116962.4838160.738339.5397
1221.1224-0.1358-0.09771.0499-0.6950.55160.12630.08990.13460.10820.0393-0.18860.04840.0261-0.13612.66160.2615-0.05971.85150.33981.181571.7738163.327748.543
1230.99390.2198-0.9461.99110.75921.38950.3307-0.2075-0.21780.1810.3861-0.117-0.29780.4033-0.6221.24040.4781-0.1131.0120.27011.201927.0767155.0796135.1313
1240.81210.43830.17440.7927-0.19530.40460.02010.3060.41080.09650.25510.32860.0344-0.0694-0.26741.07790.1374-0.26751.16770.34541.181318.0344164.1918119.3705
1251.88910.97881.43042.05742.49977.29190.6015-0.02650.08090.47270.54160.02770.11860.1793-1.03481.9726-0.1283-0.44991.1164-0.04551.121412.81156.7597126.0438
1260.6735-0.63230.42761.60390.34520.8433-0.5281.51210.3487-0.0162-0.2902-0.4143-0.31320.06530.79871.344-0.5752-0.11042.42640.36830.847443.0291148.721962.0232
1270.3854-0.1774-0.12120.215-0.12750.29190.0554-0.0146-0.14180.08740.04430.14740.01550.0213-0.08292.6053-0.8121-0.3922.0980.54791.248557.3306147.206651.142
1280.747-0.5631-0.37051.68770.340.18960.26480.07120.1693-0.62510.07970.5804-0.1291-0.269-0.2971.4538-0.5701-0.13252.47150.68191.087436.7822143.995362.5314
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'X' and (resid 1 through 677 )X1 - 677
2X-RAY DIFFRACTION2chain 'X' and (resid 678 through 1496 )X678 - 1496
3X-RAY DIFFRACTION3chain 'X' and (resid 1497 through 1656 )X0
4X-RAY DIFFRACTION4chain 'X' and (resid 1657 through 1993 )X0
5X-RAY DIFFRACTION5chain 'X' and (resid 1994 through 2227 )X0
6X-RAY DIFFRACTION6chain 'X' and (resid 2228 through 2877 )X0
7X-RAY DIFFRACTION7chain 'Y' and (resid 3 through 11 )Y3 - 11
8X-RAY DIFFRACTION8chain 'Y' and (resid 12 through 21 )Y12 - 21
9X-RAY DIFFRACTION9chain 'Y' and (resid 22 through 41 )Y22 - 41
10X-RAY DIFFRACTION10chain 'Y' and (resid 42 through 61 )Y42 - 61
11X-RAY DIFFRACTION11chain 'Y' and (resid 62 through 81 )Y62 - 81
12X-RAY DIFFRACTION12chain 'Y' and (resid 82 through 91 )Y82 - 91
13X-RAY DIFFRACTION13chain 'Y' and (resid 92 through 122 )Y92 - 122
14X-RAY DIFFRACTION14chain 'A' and (resid 2 through 16 )A2 - 16
15X-RAY DIFFRACTION15chain 'A' and (resid 17 through 54 )A17 - 54
16X-RAY DIFFRACTION16chain 'A' and (resid 55 through 83 )A55 - 83
17X-RAY DIFFRACTION17chain 'A' and (resid 84 through 116 )A84 - 116
18X-RAY DIFFRACTION18chain 'A' and (resid 117 through 200 )A117 - 200
19X-RAY DIFFRACTION19chain 'A' and (resid 201 through 222 )A201 - 222
20X-RAY DIFFRACTION20chain 'A' and (resid 223 through 240 )A223 - 240
21X-RAY DIFFRACTION21chain 'A' and (resid 241 through 272 )A241 - 272
22X-RAY DIFFRACTION22chain 'B' and (resid 1 through 16 )B1 - 16
23X-RAY DIFFRACTION23chain 'B' and (resid 17 through 77 )B17 - 77
24X-RAY DIFFRACTION24chain 'B' and (resid 78 through 101 )B78 - 101
25X-RAY DIFFRACTION25chain 'B' and (resid 102 through 185 )B102 - 185
26X-RAY DIFFRACTION26chain 'B' and (resid 186 through 206 )B186 - 206
27X-RAY DIFFRACTION27chain 'C' and (resid 2 through 96 )C2 - 96
28X-RAY DIFFRACTION28chain 'C' and (resid 97 through 129 )C97 - 129
29X-RAY DIFFRACTION29chain 'C' and (resid 130 through 167 )C130 - 167
30X-RAY DIFFRACTION30chain 'C' and (resid 168 through 198 )C168 - 198
31X-RAY DIFFRACTION31chain 'D' and (resid 3 through 120 )D3 - 120
32X-RAY DIFFRACTION32chain 'D' and (resid 121 through 130 )D121 - 130
33X-RAY DIFFRACTION33chain 'D' and (resid 131 through 179 )D131 - 179
34X-RAY DIFFRACTION34chain 'E' and (resid 5 through 44 )E5 - 44
35X-RAY DIFFRACTION35chain 'E' and (resid 45 through 175 )E45 - 175
36X-RAY DIFFRACTION36chain 'G' and (resid 30 through 87 )G30 - 87
37X-RAY DIFFRACTION37chain 'G' and (resid 88 through 97 )G88 - 97
38X-RAY DIFFRACTION38chain 'G' and (resid 98 through 165 )G98 - 165
39X-RAY DIFFRACTION39chain 'G' and (resid 166 through 172 )G166 - 172
40X-RAY DIFFRACTION40chain 'H' and (resid 1 through 25 )H1 - 25
41X-RAY DIFFRACTION41chain 'H' and (resid 26 through 68 )H26 - 68
42X-RAY DIFFRACTION42chain 'H' and (resid 69 through 109 )H69 - 109
43X-RAY DIFFRACTION43chain 'H' and (resid 110 through 134 )H110 - 134
44X-RAY DIFFRACTION44chain 'I' and (resid 1 through 30 )I1 - 30
45X-RAY DIFFRACTION45chain 'I' and (resid 31 through 50 )I31 - 50
46X-RAY DIFFRACTION46chain 'I' and (resid 51 through 60 )I51 - 60
47X-RAY DIFFRACTION47chain 'I' and (resid 61 through 137 )I61 - 137
48X-RAY DIFFRACTION48chain 'J' and (resid 6 through 25 )J6 - 25
49X-RAY DIFFRACTION49chain 'J' and (resid 26 through 37 )J26 - 37
50X-RAY DIFFRACTION50chain 'J' and (resid 38 through 125 )J38 - 125
51X-RAY DIFFRACTION51chain 'J' and (resid 126 through 134 )J126 - 134
52X-RAY DIFFRACTION52chain 'J' and (resid 135 through 141 )J135 - 141
53X-RAY DIFFRACTION53chain 'K' and (resid 1 through 13 )K1 - 13
54X-RAY DIFFRACTION54chain 'K' and (resid 14 through 32 )K14 - 32
55X-RAY DIFFRACTION55chain 'K' and (resid 33 through 89 )K33 - 89
56X-RAY DIFFRACTION56chain 'K' and (resid 90 through 116 )K90 - 116
57X-RAY DIFFRACTION57chain 'L' and (resid 8 through 58 )L8 - 58
58X-RAY DIFFRACTION58chain 'L' and (resid 59 through 63 )L59 - 63
59X-RAY DIFFRACTION59chain 'L' and (resid 64 through 82 )L64 - 82
60X-RAY DIFFRACTION60chain 'L' and (resid 83 through 97 )L83 - 97
61X-RAY DIFFRACTION61chain 'L' and (resid 98 through 111 )L98 - 111
62X-RAY DIFFRACTION62chain 'M' and (resid 1 through 107 )M1 - 107
63X-RAY DIFFRACTION63chain 'M' and (resid 108 through 113 )M108 - 113
64X-RAY DIFFRACTION64chain 'N' and (resid 2 through 31 )N2 - 31
65X-RAY DIFFRACTION65chain 'N' and (resid 32 through 72 )N32 - 72
66X-RAY DIFFRACTION66chain 'N' and (resid 73 through 92 )N73 - 92
67X-RAY DIFFRACTION67chain 'N' and (resid 93 through 118 )N93 - 118
68X-RAY DIFFRACTION68chain 'O' and (resid 1 through 10 )O1 - 10
69X-RAY DIFFRACTION69chain 'O' and (resid 11 through 31 )O11 - 31
70X-RAY DIFFRACTION70chain 'O' and (resid 32 through 39 )O32 - 39
71X-RAY DIFFRACTION71chain 'O' and (resid 40 through 54 )O40 - 54
72X-RAY DIFFRACTION72chain 'O' and (resid 55 through 98 )O55 - 98
73X-RAY DIFFRACTION73chain 'P' and (resid 6 through 10 )P6 - 10
74X-RAY DIFFRACTION74chain 'P' and (resid 11 through 99 )P11 - 99
75X-RAY DIFFRACTION75chain 'P' and (resid 100 through 133 )P100 - 133
76X-RAY DIFFRACTION76chain 'Q' and (resid 2 through 10 )Q2 - 10
77X-RAY DIFFRACTION77chain 'Q' and (resid 11 through 22 )Q11 - 22
78X-RAY DIFFRACTION78chain 'Q' and (resid 23 through 29 )Q23 - 29
79X-RAY DIFFRACTION79chain 'Q' and (resid 30 through 57 )Q30 - 57
80X-RAY DIFFRACTION80chain 'Q' and (resid 58 through 67 )Q58 - 67
81X-RAY DIFFRACTION81chain 'Q' and (resid 68 through 75 )Q68 - 75
82X-RAY DIFFRACTION82chain 'Q' and (resid 76 through 81 )Q76 - 81
83X-RAY DIFFRACTION83chain 'Q' and (resid 82 through 94 )Q82 - 94
84X-RAY DIFFRACTION84chain 'R' and (resid 4 through 13 )R4 - 13
85X-RAY DIFFRACTION85chain 'R' and (resid 14 through 40 )R14 - 40
86X-RAY DIFFRACTION86chain 'R' and (resid 41 through 56 )R41 - 56
87X-RAY DIFFRACTION87chain 'R' and (resid 57 through 68 )R57 - 68
88X-RAY DIFFRACTION88chain 'R' and (resid 69 through 77 )R69 - 77
89X-RAY DIFFRACTION89chain 'R' and (resid 78 through 87 )R78 - 87
90X-RAY DIFFRACTION90chain 'R' and (resid 88 through 97 )R88 - 97
91X-RAY DIFFRACTION91chain 'R' and (resid 98 through 102 )R98 - 102
92X-RAY DIFFRACTION92chain 'R' and (resid 103 through 107 )R103 - 107
93X-RAY DIFFRACTION93chain 'R' and (resid 108 through 113 )R108 - 113
94X-RAY DIFFRACTION94chain 'S' and (resid 1 through 70 )S1 - 70
95X-RAY DIFFRACTION95chain 'S' and (resid 71 through 175 )S71 - 175
96X-RAY DIFFRACTION96chain 'T' and (resid 12 through 65 )T12 - 65
97X-RAY DIFFRACTION97chain 'T' and (resid 66 through 72 )T66 - 72
98X-RAY DIFFRACTION98chain 'T' and (resid 73 through 85 )T73 - 85
99X-RAY DIFFRACTION99chain 'U' and (resid 6 through 18 )U6 - 18
100X-RAY DIFFRACTION100chain 'U' and (resid 19 through 47 )U19 - 47
101X-RAY DIFFRACTION101chain 'U' and (resid 48 through 57 )U48 - 57
102X-RAY DIFFRACTION102chain 'U' and (resid 58 through 79 )U58 - 79
103X-RAY DIFFRACTION103chain 'V' and (resid 6 through 10 )V6 - 10
104X-RAY DIFFRACTION104chain 'V' and (resid 11 through 34 )V11 - 34
105X-RAY DIFFRACTION105chain 'V' and (resid 35 through 66 )V35 - 66
106X-RAY DIFFRACTION106chain 'W' and (resid 1 through 46 )W1 - 46
107X-RAY DIFFRACTION107chain 'W' and (resid 47 through 55 )W47 - 55
108X-RAY DIFFRACTION108chain 'Z' and (resid 2 through 19 )Z2 - 19
109X-RAY DIFFRACTION109chain 'Z' and (resid 20 through 29 )Z20 - 29
110X-RAY DIFFRACTION110chain 'Z' and (resid 30 through 38 )Z30 - 38
111X-RAY DIFFRACTION111chain 'Z' and (resid 39 through 46 )Z39 - 46
112X-RAY DIFFRACTION112chain 'Z' and (resid 47 through 51 )Z47 - 51
113X-RAY DIFFRACTION113chain 'Z' and (resid 52 through 59 )Z52 - 59
114X-RAY DIFFRACTION114chain '1' and (resid 6 through 10 )16 - 10
115X-RAY DIFFRACTION115chain '1' and (resid 11 through 15 )111 - 15
116X-RAY DIFFRACTION116chain '1' and (resid 16 through 20 )116 - 20
117X-RAY DIFFRACTION117chain '1' and (resid 21 through 25 )121 - 25
118X-RAY DIFFRACTION118chain '1' and (resid 26 through 30 )126 - 30
119X-RAY DIFFRACTION119chain '1' and (resid 31 through 35 )131 - 35
120X-RAY DIFFRACTION120chain '1' and (resid 36 through 40 )136 - 40
121X-RAY DIFFRACTION121chain '1' and (resid 41 through 47 )141 - 47
122X-RAY DIFFRACTION122chain '1' and (resid 48 through 54 )148 - 54
123X-RAY DIFFRACTION123chain '2' and (resid 1 through 17 )21 - 17
124X-RAY DIFFRACTION124chain '2' and (resid 18 through 37 )218 - 37
125X-RAY DIFFRACTION125chain '2' and (resid 38 through 47 )238 - 47
126X-RAY DIFFRACTION126chain '3' and (resid 2 through 37 )32 - 37
127X-RAY DIFFRACTION127chain '3' and (resid 38 through 43 )338 - 43
128X-RAY DIFFRACTION128chain '3' and (resid 44 through 64 )344 - 64

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万見について

-
お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

  • EMDBのヘッダファイルのバージョン3が、公式のフォーマットとなりました。
  • これまでは公式だったバージョン1.9は、アーカイブから削除されます。

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月：コロナウイルスプロテーアーゼ

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか？ / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例：em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

  • 万見(Yorodumi)は、EMDB/PDB/SASBDBなどの構造データを閲覧するためのページです。
  • EM Navigatorの詳細ページの後継、Omokage検索のフロントエンドも兼ねています。

関連情報:EMDB / PDB / SASBDB / 3つのデータバンクの比較 / 万見検索 / 2016年8月31日: 新しいEM Navigatorと万見 / 万見文献 / Jmol/JSmol / 機能・相同性情報 / 新しいEM Navigatorと万見の変更点

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